SCHEMBL5456069

SCHEMBL5456069

Cc1nc(CC(C)C)c(CN)c(-c2ccc(Cl)cc2)c1C(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.61
DPP8 Q6V1X1 4/20 0.61
DPP9 Q86TI2 3/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5458328 0.92 DPP4 (0.72) DPP4DPP8DPP9
SCHEMBL5443974 0.92 DPP4 (0.54) DPP4DPP8DPP9
SCHEMBL27643710 0.91 DPP4 (0.62) DPP4DPP8DPP9
SCHEMBL5449986 0.90 DPP4 (0.61) DPP4DPP8DPP9
SCHEMBL5441248 0.89 DPP4 (0.50) DPP4DPP8DPP9
SCHEMBL5445034 0.88 DPP4 (0.59) DPP4DPP8DPP9
SCHEMBL5457196 0.88 DPP4 (0.59) DPP4DPP8DPP9
SCHEMBL5457219 0.88 DPP4 (0.62) DPP4DPP8DPP9
SCHEMBL5444834 0.86 DPP4 (0.63) DPP4DPP8DPP9
SCHEMBL5446031 0.84 DPP4 (0.66) DPP4DPP8DPP9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 US disclosed
CN-1886376-A Pyridine compounds as dipeptidyl dipeptidase-IV inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-12-27 CN disclosed
EP-1678138-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV Takeda Pharmaceutical Company Limited (JP) 2006-07-12 EP disclosed
WO-2005042488-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV DPP4, DPP3, PEPD DPP4 1/4885DPP8 8/4885DPP9 5/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.